3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide

C11H17N3O3S — CID 136543514

IUPAC3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1cn(C)nc1C1CC1
InChIInChI=1S/C11H17N3O3S/c1-7(2)18(16,17)13-11(15)9-6-14(3)12-10(9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyWLWBRLJAJLFKFG-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.77
Rot. Bonds4

About 3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide

3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide (PubChem CID 136543514) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide
PubChem CID136543514
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1cn(C)nc1C1CC1
InChIInChI=1S/C11H17N3O3S/c1-7(2)18(16,17)13-11(15)9-6-14(3)12-10(9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,15)
InChIKeyWLWBRLJAJLFKFG-UHFFFAOYSA-N
XLogP0.77
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide?
The IUPAC name of 3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide (CID 136543514) is 3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide is CC(C)S(=O)(=O)NC(=O)c1cn(C)nc1C1CC1.
What is the InChIKey of 3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide?
The InChIKey is WLWBRLJAJLFKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7(2)18(16,17)13-11(15)9-6-14(3)12-10(9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide?
3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide has a molecular weight of 271.34 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-methyl-N-propan-2-ylsulfonylpyrazole-4-carboxamide is sourced from PubChem (CID 136543514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).